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Acta Chimica Slovaca
Volume 12 (2019): Issue 1 (April 2019)
Open Access
On local aromaticity of selected model aza-[n]circulenes (n = 6, 7, 8 and 9): Density functional theoretical study
Denisa Cagardová
Denisa Cagardová
,
Vladimír Lukeš
Vladimír Lukeš
,
Ján Matúška
Ján Matúška
and
Peter Poliak
Peter Poliak
| Jul 09, 2019
Acta Chimica Slovaca
Volume 12 (2019): Issue 1 (April 2019)
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Published Online:
Jul 09, 2019
Page range:
70 - 81
DOI:
https://doi.org/10.2478/acs-2019-0011
Keywords
aromaticity index
,
HOMED
,
hole mobility
,
molecular orbitals
,
reorganization energy
© 2019 Denisa Cagardová et al., published by Sciendo
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.